N-[4-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylphenyl]acetamide

C22H19NO3S — CID 38834607

IUPACN-[4-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO3S/c1-16(24)23-18-9-13-21(14-10-18)27-15-22(25)17-7-11-20(12-8-17)26-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,23,24)
InChIKeyYLPOLAVWWNCXEO-UHFFFAOYSA-N
MW377.47 g/mol
LogP5.41
Rot. Bonds7

About N-[4-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylphenyl]acetamide

N-[4-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylphenyl]acetamide (PubChem CID 38834607) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylphenyl]acetamide
PubChem CID38834607
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC NameN-[4-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO3S/c1-16(24)23-18-9-13-21(14-10-18)27-15-22(25)17-7-11-20(12-8-17)26-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,23,24)
InChIKeyYLPOLAVWWNCXEO-UHFFFAOYSA-N
XLogP5.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylphenyl]acetamide (CID 38834607) is N-[4-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCC(=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylphenyl]acetamide?
The InChIKey is YLPOLAVWWNCXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3S/c1-16(24)23-18-9-13-21(14-10-18)27-15-22(25)17-7-11-20(12-8-17)26-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,23,24).
What are the key properties of N-[4-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylphenyl]acetamide?
N-[4-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylphenyl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 38834607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).